Information card for entry 7230390

Structure parameters

• Common name: 1,3-benzoxazine
• Chemical name: methyl (E)-3-(2-(2-hydroxyphenyl)-2H-benzo[d][1,3]oxazin-1(4H)-yl)acrylate
• Formula: C19 H18 N O3
• Calculated formula: C18 H17 N O4
• Title of publication: A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
• Authors of publication: Bakthadoss, Manickam; Mushaf, Mohammad
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 22
• Pages of publication: 12152
• a: 7.534 ± 0.0005 Å
• b: 13.2552 ± 0.001 Å
• c: 15.2014 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1518.08 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No